N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

C9H13F3N4O2S — CID 136709611

IUPACN-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)(F)F
InChIInChI=1S/C9H13F3N4O2S/c1-13-7-6(19(2,17)18)8-14-4-3-5(9(10,11)12)16(8)15-7/h5,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyUWOIHXVTRSDHKN-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.25
Rot. Bonds2

About N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709611) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709611
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC NameN-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)(F)F
InChIInChI=1S/C9H13F3N4O2S/c1-13-7-6(19(2,17)18)8-14-4-3-5(9(10,11)12)16(8)15-7/h5,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyUWOIHXVTRSDHKN-UHFFFAOYSA-N
XLogP1.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709611) is N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2C(F)(F)F.
What is the InChIKey of N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is UWOIHXVTRSDHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-13-7-6(19(2,17)18)8-14-4-3-5(9(10,11)12)16(8)15-7/h5,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 298.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).